![[5-(3-oxo-2-Pent-2-enylcyclopentyl)pentyloxy]acetic acid](/api/spectrum/LD2RCjmPULs/structure.png?h=300&w=458 "[5-(3-oxo-2-Pent-2-enylcyclopentyl)pentyloxy]acetic acid")
| SpectraBase Compound ID | IAxVRV4vmqY |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-2-3-5-9-15-14(10-11-16(15)18)8-6-4-7-12-21-13-17(19)20/h3,5,14-15H,2,4,6-13H2,1H3,(H,19,20)/b5-3+/t14-,15+/m0/s1 |
| InChIKey | LTFLCLZBHBGONG-ACYLFWIKSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LD2RCjmPULs |
|---|---|
| Name | [5-(3-oxo-2-Pent-2-enylcyclopentyl)pentyloxy]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-2-3-5-9-15-14(10-11-16(15)18)8-6-4-7-12-21-13-17(19)20/h3,5,14-15H,2,4,6-13H2,1H3,(H,19,20)/b5-3+/t14-,15+/m0/s1 |
| InChIKey | LTFLCLZBHBGONG-ACYLFWIKSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C1([C@@]([C@@](CCCCCOCC(=O)O)(CC1)[H])(C\C=C\CC)[H])=O |